Potential energy surfaces and rovibrational line lists for beryllium dihydride

<p>Molpro restart files of the potential energy and property surfaces for water and beryllium dihydride and its deuterated isotopologue. Rovibrational line lists containing infrared and Raman intensities as reported in &quot;Efficient and Automated Quantum Chemical Calculation of Rovibrational Nonresonant Raman Spectra&quot; ( <a href="https://doi.org/10.1063/5.0087359">https://doi.org/10.1063/5.0087359 )</a></p>